5-amino-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one

C11H18N4O2 — CID 136716212

IUPAC5-amino-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1(C)CCCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C11H18N4O2/c1-11(17-2)4-3-5-15(6-11)9-8(12)10(16)14-7-13-9/h7H,3-6,12H2,1-2H3,(H,13,14,16)
InChIKeyJBJXBOZFSXLQSZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.36
Rot. Bonds2

About 5-amino-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one

5-amino-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136716212) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-amino-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136716212
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-amino-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1(C)CCCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C11H18N4O2/c1-11(17-2)4-3-5-15(6-11)9-8(12)10(16)14-7-13-9/h7H,3-6,12H2,1-2H3,(H,13,14,16)
InChIKeyJBJXBOZFSXLQSZ-UHFFFAOYSA-N
XLogP0.36
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568286
5-amino-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696645
5-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702376
5-amino-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702381
5-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716209
5-iodo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716210
5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716211
5-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716214
4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716215
5-amino-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749162
5-amino-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821997
5-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136822013

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136716212) is 5-amino-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one is COC1(C)CCCN(c2nc[nH]c(=O)c2N)C1.
What is the InChIKey of 5-amino-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is JBJXBOZFSXLQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(17-2)4-3-5-15(6-11)9-8(12)10(16)14-7-13-9/h7H,3-6,12H2,1-2H3,(H,13,14,16).
What are the key properties of 5-amino-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
5-amino-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136716212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).